Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F17%3A00481360" target="_blank" >RIV/61388998:_____/17:00481360 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68407700:21340/17:00315148

Výsledek na webu

<a href="http://dx.doi.org/10.1063/1.5008612" target="_blank" >http://dx.doi.org/10.1063/1.5008612</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.5008612" target="_blank" >10.1063/1.5008612</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves

Popis výsledku v původním jazyce

Density gradient theory (DGT) and capillary waves (CWs) are used to predict size-dependent surface tensions and nucleation rates for selected n-alkanes. The DGT model was completed by PC-SAFT equation of state (EoS) and compared to the classical nucleation theory and the Peng–Robinson EoS. The critical clusters are practically free of CWs because they are so small that even the smallest wavelengths of CWs do not fit into their finite dimensions. A correction for the effect of CWs on the surface tension is presented. Of the effects investigated, the most pronounced is the suppression of CWs which causes a sizable decrease of the predicted nucleation rates. The major difference between experimental nucleation rate data and theoretical predictions remains in the temperature dependence. For normal alkanes, this discrepancy is much stronger than observed, e.g., for water. Theoretical corrections developed here have a minor influence on the temperature dependence.

Název v anglickém jazyce

Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves

Popis výsledku anglicky

Density gradient theory (DGT) and capillary waves (CWs) are used to predict size-dependent surface tensions and nucleation rates for selected n-alkanes. The DGT model was completed by PC-SAFT equation of state (EoS) and compared to the classical nucleation theory and the Peng–Robinson EoS. The critical clusters are practically free of CWs because they are so small that even the smallest wavelengths of CWs do not fit into their finite dimensions. A correction for the effect of CWs on the surface tension is presented. Of the effects investigated, the most pronounced is the suppression of CWs which causes a sizable decrease of the predicted nucleation rates. The major difference between experimental nucleation rate data and theoretical predictions remains in the temperature dependence. For normal alkanes, this discrepancy is much stronger than observed, e.g., for water. Theoretical corrections developed here have a minor influence on the temperature dependence.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20303 - Thermodynamics

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

—

Svazek periodika

147

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

—

Kód UT WoS článku

000414177600071

EID výsledku v databázi Scopus

2-s2.0-85032262292